5-Chloro-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid

Base Information

• Chemical Name: 5-Chloro-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid
• CAS No.: 897-82-5
• Molecular Formula: C14H12ClNO4S
• Molecular Weight: 325.773
• DSSTox Substance ID: DTXSID90558404
• Wikidata: Q82440691

Synonyms:897-82-5;SCHEMBL9164473;DTXSID90558404;5-Chloro-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid;NSC773302;AKOS002434284;NSC-773302

Chemical Property of 5-Chloro-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 325.0175567
• Heavy Atom Count: 21
• Complexity: 468

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

Technology Process of 5-Chloro-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid

There total 3 articles about 5-Chloro-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

p-toluenesulfonyl chloride (98-59-9) + 5-chloroanthranilic acid (635-21-2) → 5-chloro-2-tosylaminobenzoic acid (897-82-5)

Guidance literature:

With triethylamine; In tetrahydrofuran; water; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/chem.201202606

Reference yield:

5-chloro-N-(2-(4,5-dihydrooxazol-2-yl)phenyl)-2-(4-methylphenylsulfonamido)benzamide (1570135-11-3) → 2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline (3416-93-1) + 5-chloro-2-tosylaminobenzoic acid (897-82-5)

Guidance literature:

With potassium hydroxide; In ethanol; at 80 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ja412880r

Reference yield:

→ 5-chloro-2-tosylaminobenzoic acid (897-82-5)

Guidance literature:

aus 2-Amino-5-chlor-benzoesaeure + TsCl in H2O mit Na2CO3 (20 Min. bei 60grad);

upstream raw materials:

p-toluenesulfonyl chloride

5-chloroanthranilic acid

5-chloro-N-(2-(4,5-dihydrooxazol-2-yl)phenyl)-2-(4-methylphenylsulfonamido)benzamide

Downstream raw materials:

2-tosylamino-5-chloro-2'-hydroxy-3',4'-dimethoxybenzophenone

1-(5-chloro-2-(tosylamino)phenyl)-1-(2-fluorophenyl)prop-2-yn-1-ol

1-(5-chloro-2-(tosylamino)phenyl)-1-phenylprop-2-yn-1-ol

2-tosylamido-5-chlorobenzophenone

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